SCHEMBL651011

SCHEMBL651011

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
CASR P41180 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 2/20 0.36
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL648191 0.94 C5AR1 (0.46) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL651343 0.93 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL1913011 0.93 C5AR1 (0.43) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL649662 0.92 C5AR1 (0.42) C5AR1TP53GAASMN1; SMN2CASR
SCHEMBL648442 0.91 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL651367 0.91 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL649931 0.91 C5AR1 (0.47) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL5135336 0.91 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL5137288 0.91 C5AR1 (0.43) C5AR1TP53GAASMN1; SMN2TSHR
SCHEMBL648305 0.91 C5AR1 (0.41) C5AR1TP53GAASMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed